N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide

C17H19F3N4O2 — CID 154715801

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESCCC/N=C(/Nc1cc(=O)n(C)c(=O)n1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O2/c1-4-9-21-15(11-5-7-12(8-6-11)17(18,19)20)22-13-10-14(25)24(3)16(26)23(13)2/h5-8,10H,4,9H2,1-3H3,(H,21,22)
InChIKeyWNWLVTRRDGUKNX-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.37
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 154715801) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID154715801
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESCCC/N=C(/Nc1cc(=O)n(C)c(=O)n1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O2/c1-4-9-21-15(11-5-7-12(8-6-11)17(18,19)20)22-13-10-14(25)24(3)16(26)23(13)2/h5-8,10H,4,9H2,1-3H3,(H,21,22)
InChIKeyWNWLVTRRDGUKNX-UHFFFAOYSA-N
XLogP2.37
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
CID 154723292
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792140
1-(4-chlorophenyl)-3-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea
CID 16654102
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 50824443
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792045
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide
CID 43935386
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide
CID 2145329
N-amino-N'-methyl-4-(trifluoromethyl)benzenecarboximidamide
CID 61363431
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 24724050
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
3-(2-propylsulfanylethylimino)-1,3-bis[4-(trifluoromethyl)phenyl]propan-1-one
CID 123339655

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide (CID 154715801) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide is CCC/N=C(/Nc1cc(=O)n(C)c(=O)n1C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is WNWLVTRRDGUKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-4-9-21-15(11-5-7-12(8-6-11)17(18,19)20)22-13-10-14(25)24(3)16(26)23(13)2/h5-8,10H,4,9H2,1-3H3,(H,21,22).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 368.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N'-propyl-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 154715801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).